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N-TFA-L-prolyl-alpha-aminocaprylic acid butyl ester
SpectraBase Compound ID 7liQwjltcoU
InChI InChI=1S/C19H31F3N2O4/c1-3-5-7-8-10-14(17(26)28-13-6-4-2)23-16(25)15-11-9-12-24(15)18(27)19(20,21)22/h14-15H,3-13H2,1-2H3,(H,23,25)/t14?,15-/m0/s1
InChIKey KBBOGPSLXRODQZ-LOACHALJSA-N
Mol Weight 408.46 g/mol
Molecular Formula C19H31F3N2O4
Exact Mass 408.223592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42Z9Sis6gFC
Name N-TFA-L-prolyl-alpha-aminocaprylic acid butyl ester
Alternate Name(s) Butyl 2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)octanoate N-TFA-L-prolyl-.alpha.-aminocaprylic acid butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31F3N2O4
InChI InChI=1S/C19H31F3N2O4/c1-3-5-7-8-10-14(17(26)28-13-6-4-2)23-16(25)15-11-9-12-24(15)18(27)19(20,21)22/h14-15H,3-13H2,1-2H3,(H,23,25)/t14?,15-/m0/s1
InChIKey KBBOGPSLXRODQZ-LOACHALJSA-N
Molecular Weight 408.462 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)C(C(=O)OCCCC)CCCCCC
SPLASH splash10-014i-3901000000-bb66c54f30ccd893ef8f
Source of Spectrum W5-1989-9619-1
Wiley ID 1372817